Abstract:Dimethyltrifluorophosphorane reacts with strong fluoride donors, such as CsF, Me(4)NF, and Me(4)PF, under formation of dimethyltetrafluorophosphates. The salts were characterized by infrared and Raman spectroscopy and in acetonitrile solutions by NMR spectroscopy. The experimental results show that only the trans isomer is formed. Theoretical calculations (B3LYP/6-31+G* and RHF/6-31+G*) of the trans and cis isomer yielded a difference of the Gibbs free energy of 29.4 kJ/mol (B3LPY/6-31+G*). The Me(4)N(+)[Me(2)… Show more
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.